CID 23726043

Azd2836

Structural Information

Molecular Formula
C24H20N6O2
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5C=NC=N5)OC
InChI
InChI=1S/C24H20N6O2/c1-31-22-10-4-17(12-23(22)32-2)16-3-9-21-20(11-16)24(27-14-26-21)29-18-5-7-19(8-6-18)30-15-25-13-28-30/h3-15H,1-2H3,(H,26,27,29)
InChIKey
UPPWMBQIDFTBEQ-UHFFFAOYSA-N
Compound name
6-(3,4-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

863
Patents

424.16476 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17204 202.5
[M+Na]+ 447.15398 212.3
[M-H]- 423.15748 210.7
[M+NH4]+ 442.19858 207.2
[M+K]+ 463.12792 203.9
[M+H-H2O]+ 407.16202 188.2
[M+HCOO]- 469.16296 221.6
[M+CH3COO]- 483.17861 211.0
[M+Na-2H]- 445.13943 207.9
[M]+ 424.16421 206.4
[M]- 424.16531 206.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe